(1,3-Dioxaindan-5-yl) methanethiol

CAT: 0926-JBA81707-01Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-JBA81707-01Size:50 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

34817-07-7

MDL Number

MFCD00068473

Smiles

C1OC2=C (O1) C=C (C=C2) CS

Molecular Formula

C8H8O2S

Molecular Weight

168.21 g/mol

Controlled

Chemical Information

(2H-1,3-Benzodioxol-5-yl)methanethiol

CAS Number	34817-07-7
PubChem CID	14625014
IUPAC Name	1,3-benzodioxol-5-ylmethanethiol
Molecular Formula	C8H8O2S
Molecular Weight	168.21
XLogP	2
Topological Polar Surface Area	19.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	140

SMILES

C1OC2=C(O1)C=C(C=C2)CS

InChI

InChI=1S/C8H8O2S/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-3,11H,4-5H2

InChIKey

IUDHVNFWLPCUAZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34817-07-7

CID: 14625014

Formula: C8H8O2S

MW: 168.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.21
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	168.02450067
Monoisotopic Mass	168.02450067
Topological Polar Surface Area	19.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	140
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ZQB28451-01	(1,3-Thiazol-5-yl) methanethiol
UEA17946-01	(1,3-Dioxaindan-5-yl) urea
SEA88914-01	N- (1,3-Dioxaindan-5-yl) formamide
YEA68243-01	N- (1,3-Dioxaindan-5-yl) propanamide
RBA91745-01	5- (1,3-Dioxaindan-5-yl) pentanoic acid
RYB23018-01	(1,3-Dioxaindan-5-yl) (cyclopentyl) methanol
RAC69441-01	3- (1,3-Dioxaindan-5-yl) pyrrolidine hydrochloride
SDA50050-01	[1- (1,3-Dioxaindan-5-yl) cyclohexyl]methanamine
WIA13744-01	[1- (1,3-Dioxaindan-5-yl) cyclopropyl]methanamine
SAD83049-01	(2-Methyl-1,3-oxazol-5-yl) methanethiol

Catalog	Name
sc-347440	(3,5-dimethylisoxazol-4-yl) methanethiol
OR1049084-01	(3,5-Dichlorophenyl) methanethiol
OR1053649-01	(1-Ethyl-1H-pyrrol-2-yl) methanethiol
sc-261069	(3-Methylphenyl) methanethiol
OR51960-01	(3-Methoxyphenyl) methanethiol
OR51962-01	(3-Bromophenyl) methanethiol
OR51961	(3-Chlorophenyl) methanethiol
OR82063-01	(3-Nitrophenyl) methanethiol
OR1047610-01	(4- (Pyridin-4-yl) phenyl) methanethiol
PC111792-01	(2,3-Difluorophenyl) methanethiol